3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one

C7H12N2O2 — CID 134319524

IUPAC3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one
SMILESNCCC1C=CC(=O)NC1O
InChIInChI=1S/C7H12N2O2/c8-4-3-5-1-2-6(10)9-7(5)11/h1-2,5,7,11H,3-4,8H2,(H,9,10)
InChIKeyDCWGIOAMBPDSFJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP-1.04
Rot. Bonds2

About 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one

3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one (PubChem CID 134319524) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one
PubChem CID134319524
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one
SMILESNCCC1C=CC(=O)NC1O
InChIInChI=1S/C7H12N2O2/c8-4-3-5-1-2-6(10)9-7(5)11/h1-2,5,7,11H,3-4,8H2,(H,9,10)
InChIKeyDCWGIOAMBPDSFJ-UHFFFAOYSA-N
XLogP-1.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one (CID 134319524) is 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one is NCCC1C=CC(=O)NC1O.
What is the InChIKey of 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is DCWGIOAMBPDSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-4-3-5-1-2-6(10)9-7(5)11/h1-2,5,7,11H,3-4,8H2,(H,9,10).
What are the key properties of 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one?
3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 156.18 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-hydroxy-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 134319524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).